SCHEMBL24426975

SCHEMBL24426975

CC[C@H](NC(=O)COC(F)F)c1cc(C)cc(Cl)c1COc1cccc2c(-c3ncnn3C)cc(C)nc12

nearest known ligand 0.55

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ BDKRB2 P30411 20/20 0.55
▸ CYP3A4 P08684 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL24427024 0.95 BDKRB2 (0.55) BDKRB2CYP3A4
SCHEMBL21030554 0.94 BDKRB2 (0.54) BDKRB2CYP3A4
SCHEMBL24427017 0.92 BDKRB2 (0.56) BDKRB2CYP3A4
SCHEMBL21030187 0.89 BDKRB2 (0.54) BDKRB2CYP3A4
SCHEMBL24180708 0.88 BDKRB2 (0.52) BDKRB2CYP3A4
SCHEMBL22334211 0.88 BDKRB2 (0.58) BDKRB2CYP3A4
SCHEMBL24427015 0.86 BDKRB2 (0.55) BDKRB2CYP3A4
SCHEMBL24426923 0.86 BDKRB2 (0.39) BDKRB2
Crictibant SCHEMBL21001160 0.86 BDKRB2 (0.56) BDKRB2CYP3A4
Deucrictibant SCHEMBL21001161 0.86 BDKRB2 (0.56) BDKRB2CYP3A4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3998259-A1 NOVEL BRADYKININ B2 RECEPTOR ANTAGONISTS Pharvaris Netherlands B.V. (NL) 2022-05-18 — — EP disclosed
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